CID 13327048

Methyl 3-(p-tolyl)oxirane-2-carboxylate

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1=CC=C(C=C1)C2C(O2)C(=O)OC
InChI
InChI=1S/C11H12O3/c1-7-3-5-8(6-4-7)9-10(14-9)11(12)13-2/h3-6,9-10H,1-2H3
InChIKey
NRVPICMUQWVTEE-UHFFFAOYSA-N
Compound name
methyl 3-(4-methylphenyl)oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.0
[M+Na]+ 215.06786 149.4
[M-H]- 191.07136 147.9
[M+NH4]+ 210.11246 152.9
[M+K]+ 231.04180 148.5
[M+H-H2O]+ 175.07590 132.4
[M+HCOO]- 237.07684 162.2
[M+CH3COO]- 251.09249 186.7
[M+Na-2H]- 213.05331 145.1
[M]+ 192.07809 145.1
[M]- 192.07919 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe